4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine

C12H20N4 — CID 79879239

IUPAC4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine
SMILESCC(C)Cn1ncnc1C=C1CCNCC1
InChIInChI=1S/C12H20N4/c1-10(2)8-16-12(14-9-15-16)7-11-3-5-13-6-4-11/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyASNLBVMIXVLJIE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.70
Rot. Bonds3

About 4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine

4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine (PubChem CID 79879239) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine.

Molecular Properties

Compound Name4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine
PubChem CID79879239
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine
SMILESCC(C)Cn1ncnc1C=C1CCNCC1
InChIInChI=1S/C12H20N4/c1-10(2)8-16-12(14-9-15-16)7-11-3-5-13-6-4-11/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyASNLBVMIXVLJIE-UHFFFAOYSA-N
XLogP1.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine?
The IUPAC name of 4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine (CID 79879239) is 4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine.
What is the SMILES notation for 4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine?
The canonical SMILES for 4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine is CC(C)Cn1ncnc1C=C1CCNCC1.
What is the InChIKey of 4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine?
The InChIKey is ASNLBVMIXVLJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(2)8-16-12(14-9-15-16)7-11-3-5-13-6-4-11/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of 4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine?
4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine has a molecular weight of 220.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylidene]piperidine is sourced from PubChem (CID 79879239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).